3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole

C18H15N5OS — CID 8577228

IUPAC3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
SMILESCc1ccccc1-n1nnnc1SCc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H15N5OS/c1-13-7-5-6-10-16(13)23-18(19-21-22-23)25-12-15-11-17(24-20-15)14-8-3-2-4-9-14/h2-11H,12H2,1H3
InChIKeyWQJKDCFGALKBBS-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.92
Rot. Bonds5

About 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole

3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole (PubChem CID 8577228) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
PubChem CID8577228
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
SMILESCc1ccccc1-n1nnnc1SCc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H15N5OS/c1-13-7-5-6-10-16(13)23-18(19-21-22-23)25-12-15-11-17(24-20-15)14-8-3-2-4-9-14/h2-11H,12H2,1H3
InChIKeyWQJKDCFGALKBBS-UHFFFAOYSA-N
XLogP3.92
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole (CID 8577228) is 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole is Cc1ccccc1-n1nnnc1SCc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole?
The InChIKey is WQJKDCFGALKBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-13-7-5-6-10-16(13)23-18(19-21-22-23)25-12-15-11-17(24-20-15)14-8-3-2-4-9-14/h2-11H,12H2,1H3.
What are the key properties of 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole?
3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole has a molecular weight of 349.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 8577228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).